CID 3086796

(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6h)-one, 6-ethyl-

Structural Information

Molecular Formula
C18H14N2O2
SMILES
CCN1C2=CC=CC=C2N=CC3=C1OC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H14N2O2/c1-2-20-15-9-5-4-8-14(15)19-11-13-17(21)12-7-3-6-10-16(12)22-18(13)20/h3-11H,2H2,1H3
InChIKey
HJHUNLYWCZLFJZ-UHFFFAOYSA-N
Compound name
6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.112806 165.4
[M+Na]+ 313.094748 176.4
[M-H]- 289.098254 171.8
[M+NH4]+ 308.139353 179.8
[M+K]+ 329.068688 175.4
[M+H-H2O]+ 273.102790 157.7
[M+HCOO]- 335.103731 183.0
[M+CH3COO]- 349.119381 177.3
[M+Na-2H]- 311.080196 174.9
[M]+ 290.10498142 166.8
[M]- 290.10607858 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.